SCHEMBL3293116

SCHEMBL3293116

CNC[C@@H](O)CCN1Cc2ccccc2N(c2ccccc2F)S1(O)O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.57
SLC6A3 Q01959 11/20 0.57
SLC6A4 P31645 6/20 0.57
KCNH2 Q12809 2/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3289988 0.91 SLC6A2 (0.57) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3293106 0.88 SLC6A2 (0.71) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3288598 0.84 SLC6A2 (0.74) SLC6A2SLC6A3SLC6A4
SCHEMBL3289189 0.82 SLC6A2 (0.77) SLC6A2SLC6A3SLC6A4
SCHEMBL3292730 0.81 SLC6A2 (0.77) SLC6A2SLC6A3SLC6A4
SCHEMBL4055878 0.81 SLC6A2 (0.77) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3599491 0.81 SLC6A2 (0.77) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3605719 0.81 SLC6A2 (0.77) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3289984 0.80 SLC6A2 (0.73) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL4059776 0.76 SLC6A2 (0.67) SLC6A2SLC6A3SLC6A4KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718652-B2 Substituted benzothiadiazinedioxide derivatives and methods of their use WYETH LLC (US) 2010-05-18 US claimed
US-20080161295-A1 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US claimed
US-7718652-B2 Substituted benzothiadiazinedioxide derivatives and methods of their use WYETH LLC (US) 2010-05-18 US disclosed
US-20080161295-A1 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US disclosed
WO-2008073958-A2 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080161295-A1 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A2, SLC6A4, DBH SLC6A2 1/4885SLC6A3 4/4885SLC6A4 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.